(2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid

C14H23NO3 — CID 123459384

IUPAC(2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1CCC2(CCCC2)C1=O
InChIInChI=1S/C14H23NO3/c1-10(2)9-11(12(16)17)15-8-7-14(13(15)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeySJTJJDLPSIOWQL-NSHDSACASA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds4

About (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid

(2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid (PubChem CID 123459384) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid
PubChem CID123459384
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1CCC2(CCCC2)C1=O
InChIInChI=1S/C14H23NO3/c1-10(2)9-11(12(16)17)15-8-7-14(13(15)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeySJTJJDLPSIOWQL-NSHDSACASA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid (CID 123459384) is (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid is CC(C)C[C@@H](C(=O)O)N1CCC2(CCCC2)C1=O.
What is the InChIKey of (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid?
The InChIKey is SJTJJDLPSIOWQL-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)9-11(12(16)17)15-8-7-14(13(15)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid?
(2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid is sourced from PubChem (CID 123459384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).